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	hartrees
Energy at 0K	-26.777348
Energy at 298.15K	-26.779785
HF Energy	-26.777348
Nuclear repulsion energy	10.454977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3097	3097	4.08
2	A₁	2501	2501	17.82
3	A₁	1513	1513	21.43
4	A₁	1277	1277	0.78
5	A₂	319	319	0.00
6	B₁	3233	3233	5.70
7	B₁	1233	1233	0.11
8	B₂	2101	2101	219.34
9	B₂	768	768	0.47

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.107
H2	0.000	0.702	-0.939
H3	0.000	-0.702	-0.939
H4	-1.011	0.000	0.672
H5	1.011	0.000	0.672

	B1	H2	H3	H4	H5
B1		1.2590	1.2590	1.1583	1.1583
H2	1.2590		1.4034	2.0268	2.0268
H3	1.2590	1.4034		2.0268	2.0268
H4	1.1583	2.0268	2.0268		2.0223
H5	1.1583	2.0268	2.0268	2.0223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	67.747	H2	B1	H4	113.891
H2	B1	H5	113.891	H3	B1	H4	113.891
H3	B1	H5	113.891	H4	B1	H5	121.610

All results from a given calculation for BH₄ (borohydride)

using model chemistry: M06-2X/STO-3G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	B	-0.074
2	H	0.082
3	H	0.082
4	H	-0.046
5	H	-0.046

	x	y	z	Total
	0.000	0.000	-1.364	1.364
CHELPG
AIM
ESP

<r²>	10.927
(<r²>)^1/2	3.306

All results from a given calculation for BH4 (borohydride)

using model chemistry: M06-2X/STO-3G

States and conformations

All results from a given calculation for BH₄ (borohydride)